SCHEMBL28099160

SCHEMBL28099160

O=c1ccccn1-n1cccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
ADORA3 P0DMS8 1/20 0.39
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CDC25B P30305 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CES2 O00748 1/20 0.33
APAF1 O14727 1/20 0.33
TERT O14746 1/20 0.33
PLIN1 O60240 1/20 0.33
TDP2 O95551 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G1B P04054 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7627710 0.88 POLB (0.35) POLBADORA3NPSR1MEN1KMT2A
SCHEMBL1191487 0.86 MEN1 (0.40) POLBADORA3NPSR1MEN1KMT2A
SCHEMBL28086933 0.72 CHEK1 (0.33) POLBADORA3NPSR1ALOX15
SCHEMBL30452391 0.72 CYP3A4 (0.36) POLBADORA3NPSR1MEN1KMT2A
SCHEMBL28113418 0.69 CA12 (0.38) POLBADORA3NPSR1NPC1KDM4E
SCHEMBL27749294 0.68 BCHE (0.37) RAB9ABCHES100A4ALDH1A1TSHR
SCHEMBL17906986 0.68 PRKDC (0.42) POLBMEN1KMT2ACDC25BSMN1; SMN2
SCHEMBL9055973 0.68 SIGMAR1 (0.39) POLBMEN1KMT2AALDH1A1TSHR
SCHEMBL18284673 0.68 CYP19A1 (0.39) POLBADORA3NPSR1CA12CA1
SCHEMBL642226 0.67

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107652289-A Substituted tricyclic compound as FGFR inhibitor 因塞特控股公司 2018-02-02 CN claimed
CN-107383009-A Substituted tricyclic compound as FGFR inhibitor 因塞特控股公司 2017-11-24 CN claimed
CN-110128480-A organic electroluminescent material and device 环球展览公司 2019-08-16 CN disclosed
CN-106061480-A Therapeutic inhibitory compounds 莱福斯希医药公司 2016-10-26 CN disclosed
CN-105992768-A Imidazopyridazine compounds useful as modulators of il-12, il-23 and/or ifn alpha responses 百时美施贵宝公司 2016-10-05 CN disclosed
CN-104395309-B Cyclic bridgehead ether DGAT1 inhibitors 诺华股份有限公司 2016-09-28 CN disclosed